SCHEMBL2915045

SCHEMBL2915045

COc1nccc2oc(C(=O)NC(=S)Nc3cccc(OCc4ccccc4)c3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.55
MEN1 O00255 8/20 0.55
RAB9A P51151 4/20 0.55
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 3/20 0.46
POLB P06746 3/20 0.46
LTA4H P09960 1/20 0.45
ALOX12 P18054 1/20 0.45
LRRK2 Q5S007 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGAM O43451 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2919939 0.90 KMT2A (0.48) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2915259 0.89 KMT2A (0.55) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2909645 0.88 KMT2A (0.53) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13956772 0.83 KMT2A (0.59) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4540503 0.82 KMT2A (0.56) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2916577 0.82 ALDH1A1 (0.58) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4361550 0.81 MEN1 (0.65) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4363853 0.81 ALDH1A1 (0.57) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13956758 0.79 MEN1 (0.62) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13956767 0.79 MEN1 (0.57) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709047-B1 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-09-01 EP claimed
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 US claimed
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-10-13 US claimed
EP-1709047-B1 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-09-01 EP disclosed
EP-1709047-B1 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-09-01 EP disclosed
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 US disclosed
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 US disclosed
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 US disclosed
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-10-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication NAT1, PIGS, ADORA1 KMT2A 1884/4885MEN1 4556/4885RAB9A 1975/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.